Description

This entry presents Chlorophacinone (C23H15ClO3; CAS 3691-35-8; PubChem CID 19402 (https://pubchem.ncbi.nlm.nih.gov/compound/19402)) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Cl, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged. Structure at a glance 42 atoms: 23 C, 15 H, 1 Cl, 3 O 45 bonds: 24 single, 3 double, 18 aromatic Four rings (one 5-membered and three 6-membered), with one pair of rings fused along a shared edge, three of them aromatic Functional groups: three ketone groups (C=O) and one C-Cl bond One stereocentre; configuration not defined in the source record (no R/S label) — IUPAC name 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione No hydrogen-bond donors and three acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.09 (computed) Use in teaching Counting task: students tally the engraved symbols (23 C, 15 H, 1 Cl, 3 O; 42 atoms) and rebuild the formula C23H15ClO3 from the model alone. Stereochemistry: locate the stereocentre; the source record defines no configuration, so the printed conformer should not be read as a specific stereoisomer. Aromaticity: identify the three aromatic rings among the four rings and the 18 bonds recorded as aromatic. File and printing STL mesh of 594,382 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 10.084 × 10.623 × 9.837 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 100.8 × 106.2 × 98.4 mm. SHA-256: 5f50179a2ea8bc384433847f5c921fae18294ae428863d12a2b48a3b73b66f2e. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): UDHXJZHVNHGCEC-UHFFFAOYSA-N Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem Stereocentres in PubChem: 0 defined, 1 undefined; both counts match this record Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file Source, licence and identifiers Full record: molgod.org/molecule/3691-35-8 (https://molgod.org/molecule/3691-35-8/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/3691-35-8 (https://molgod.org/licenses/stl/3691-35-8/) · Same file on Wikimedia Commons: File:Chlorophacinone-3D-molecular-model-engraved-CAS-3691-35-8.stl (https://commons.wikimedia.org/wiki/File:Chlorophacinone-3D-molecular-model-engraved-CAS-3691-35-8.stl) MolGod ID: MG_940-128-408-66 (https://molgod.org/id/MG_940-128-408-66) Wikidata: Q413488 (https://www.wikidata.org/wiki/Q413488) EC number: 223-003-0 ChemSpider ID: 18286 InChIKey: UDHXJZHVNHGCEC-UHFFFAOYSA-N SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O Molar mass 374.8 g/mol (exact mass 374.0709720) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "Chlorophacinone 3D model by MolGod.org — https://molgod.org/molecule/3691-35-8/ — CC BY-SA 4.0".